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ML401

CAT: 0013-GTR19167185-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19167185-01Size:5 mg
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Description
ML401 is a potent and selective antagonist of the EBI2 receptor (GPR183), exhibiting an IC50 of 1.03 nM. This small molecule is a valuable research tool for investigating the role of EBI2 in immune cell migration, both in vitro and in vivo, particularly within the fields of immunology and inflammatory disease research.
CAS Number
1597489-14-9
Product Name Alternative
CID73169083; SID 173333998
Field of Research
Immunology & Inflammation
Purity
>98%
Form
Powder
Solubility
Soluble in DMSO (45 mg/ml)
Smiles
Clc1ccc (CN2CCN (CC2) C (=O) \C=C\c2ccc (Br) cc2) cc1
Molecular Formula
C20H20BrClN2O
Molecular Weight
419.7
Storage Conditions
-20°C
Notes
For research use only.
Other Product Names
(E) -3- (4-Bromophenyl) -1- (4- (4-chlorobenzyl) -piperazin-1-yl) prop-2-en-1-one

Chemical Information

(E)-3-(4-bromophenyl)-1-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]prop-2-en-1-one
CAS Number1597489-14-9
PubChem CID73169083
IUPAC Name(E)-3-(4-bromophenyl)-1-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]prop-2-en-1-one
Molecular FormulaC20H20BrClN2O
Molecular Weight419.7
XLogP4.4
Topological Polar Surface Area23.6
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count4
Heavy Atom Count25
Formal Charge0
Complexity449
SMILES
C1CN(CCN1CC2=CC=C(C=C2)Cl)C(=O)/C=C/C3=CC=C(C=C3)Br
InChI
InChI=1S/C20H20BrClN2O/c21-18-6-1-16(2-7-18)5-10-20(25)24-13-11-23(12-14-24)15-17-3-8-19(22)9-4-17/h1-10H,11-15H2/b10-5+
InChIKey
NXTNVQJKGHAGAX-BJMVGYQFSA-N
Chemical Structure
2D Structure
2D structure of (E)-3-(4-bromophenyl)-1-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]prop-2-en-1-one
CAS: 1597489-14-9
CID: 73169083
Formula: C20H20BrClN2O
MW: 419.7
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight419.7
XLogP34.4
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count4
Exact Mass418.04475
Monoisotopic Mass418.04475
Topological Polar Surface Area23.6 Ų
Heavy Atom Count25
Formal Charge0
Complexity449
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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CatalogName
562605ML401
A18799-1ML401 1mg
A18799-25ML401 25mg
A18799-500ML401 500mg
A18799-100ML401 100mg
A18799-10ML401 10mg
A18799-5ML401 5mg
A18799-2ML401 2mg
A18799-50ML401 50mg

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